CID 52920453

5-(3',5'-dihydroxyphenyl)-gamma-valerolactone

Structural Information

Molecular Formula
C11H12O4
SMILES
C1CC(=O)OC1CC2=CC(=CC(=C2)O)O
InChI
InChI=1S/C11H12O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10,12-13H,1-2,5H2
InChIKey
WAKFBGOXOFLZLZ-UHFFFAOYSA-N
Compound name
5-[(3,5-dihydroxyphenyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

69
Patents

208.07356 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.3
[M+Na]+ 231.06278 150.1
[M-H]- 207.06628 147.5
[M+NH4]+ 226.10738 160.4
[M+K]+ 247.03672 148.2
[M+H-H2O]+ 191.07082 137.0
[M+HCOO]- 253.07176 162.7
[M+CH3COO]- 267.08741 179.5
[M+Na-2H]- 229.04823 145.6
[M]+ 208.07301 141.4
[M]- 208.07411 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe